2-(azepan-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide; ethanedioic acid Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-yl)acetamide; oxalic acid CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-azepanyl)acetamide; oxalic acid IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-yl)acetamide; oxalic acid Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azepan-1-yl)acetamide; oxalic acid Formula: C19H24N2O8 MolecularWeight: 408.40246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCCCC3)OCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCCCC3)OCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O4.C2H2O4/c1-12(20)13-8-15-16(23-11-22-15)9-14(13)18-17(21)10-19-6-4-2-3-5-7-19;3-1(4)2(5)6/h8-9H,2-7,10-11H2,1H3,(H,18,21);(H,3,4)(H,5,6)